2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione

C41H51N11O7 — CID 135157183

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCN3CCN(CCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)n4C(C)C)n2)CC1
InChIInChI=1S/C41H51N11O7/c1-26(2)51-33-23-35(45-34-8-11-42-41(46-34)50-12-9-27(57-3)10-13-50)43-24-31(33)44-36(51)25-58-20-18-48-14-16-49(17-15-48)19-21-59-28-4-5-29-30(22-28)40(56)52(39(29)55)32-6-7-37(53)47-38(32)54/h4-5,8,11,22-24,26-27,32H,6-7,9-10,12-21,25H2,1-3H3,(H,47,53,54)(H,42,43,45,46)
InChIKeyVILYQFSEOMMHAP-UHFFFAOYSA-N
MW809.93 g/mol
LogP2.78
Rot. Bonds15

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione (PubChem CID 135157183) has the molecular formula C41H51N11O7 and a molecular weight of 809.93 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione
PubChem CID135157183
Molecular FormulaC41H51N11O7
Molecular Weight809.93 g/mol
Exact Mass809.40
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCN3CCN(CCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)n4C(C)C)n2)CC1
InChIInChI=1S/C41H51N11O7/c1-26(2)51-33-23-35(45-34-8-11-42-41(46-34)50-12-9-27(57-3)10-13-50)43-24-31(33)44-36(51)25-58-20-18-48-14-16-49(17-15-48)19-21-59-28-4-5-29-30(22-28)40(56)52(39(29)55)32-6-7-37(53)47-38(32)54/h4-5,8,11,22-24,26-27,32H,6-7,9-10,12-21,25H2,1-3H3,(H,47,53,54)(H,42,43,45,46)
InChIKeyVILYQFSEOMMHAP-UHFFFAOYSA-N
XLogP2.78
TPSA189.48 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.93
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione (CID 135157183) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione is COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCN3CCN(CCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)n4C(C)C)n2)CC1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione?
The InChIKey is VILYQFSEOMMHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H51N11O7/c1-26(2)51-33-23-35(45-34-8-11-42-41(46-34)50-12-9-27(57-3)10-13-50)43-24-31(33)44-36(51)25-58-20-18-48-14-16-49(17-15-48)19-21-59-28-4-5-29-30(22-28)40(56)52(39(29)55)32-6-7-37(53)47-38(32)54/h4-5,8,11,22-24,26-27,32H,6-7,9-10,12-21,25H2,1-3H3,(H,47,53,54)(H,42,43,45,46).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione has a molecular weight of 809.93 g/mol, XLogP of 2.78, 15 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 135157183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).